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ASINEX-ZINC00798278

 MMsINC code: MMs00168865
Type: Neutral
Formula: C13H10FNO3S
SMILES:   s1c(NC(=O)c2ccc(F)cc2)c(cc1C)C(O)=O
InChI:   InChI=1/C13H10FNO3S/c1-7-6-10(13(17)18)12(19-7)15-11(16)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,15,16)(H,17,18)

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Potential Energy
Epot(MMFF94)=48.5159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 279.291 g/mol  logS: -3.89765  SlogP: 3.14612  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00417412  Sterimol/B1: 2.19385  Sterimol/B2: 2.42425  Sterimol/B3: 2.51223
  Sterimol/B4: 7.31176  Sterimol/L: 15.0793 
 
 Surface and Volume Properties
  Accessible surface: 471.491  Positive charged surface: 229.683  Negative charged surface: 241.809  Volume: 235.75
  Hydrophobic surface: 351.204  Hydrophilic surface: 120.287
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00168866
ASINEX-ZINC00798278